[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine

C17H24N4 — CID 105224823

IUPAC[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine
SMILESCCc1cc(CC(NN)C2Cc3ccccc32)n(CC)n1
InChIInChI=1S/C17H24N4/c1-3-13-10-14(21(4-2)20-13)11-17(19-18)16-9-12-7-5-6-8-15(12)16/h5-8,10,16-17,19H,3-4,9,11,18H2,1-2H3
InChIKeyPRJRIUVCTNOACH-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.18
Rot. Bonds6

About [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine (PubChem CID 105224823) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine
PubChem CID105224823
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine
SMILESCCc1cc(CC(NN)C2Cc3ccccc32)n(CC)n1
InChIInChI=1S/C17H24N4/c1-3-13-10-14(21(4-2)20-13)11-17(19-18)16-9-12-7-5-6-8-15(12)16/h5-8,10,16-17,19H,3-4,9,11,18H2,1-2H3
InChIKeyPRJRIUVCTNOACH-UHFFFAOYSA-N
XLogP2.18
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105224789
[2-(1,3-diethylpyrazol-5-yl)-1-(4-ethylmorpholin-2-yl)ethyl]hydrazine
CID 105247675
[2-(1,3-diethylpyrazol-5-yl)-1-(4-ethylcyclohexyl)ethyl]hydrazine
CID 105231524
[2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259988
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine
CID 105224704
[2-(1,3-diethylpyrazol-5-yl)-1-(3-methylcyclohexyl)ethyl]hydrazine
CID 105210397
[2-(1,3-diethylpyrazol-5-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249387
[1-(2,3-dihydro-1-benzofuran-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105263051
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105224803
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105224757
[2-(1,3-diethylpyrazol-5-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]hydrazine
CID 105318400
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105224818

Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine?
The IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine (CID 105224823) is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine?
The canonical SMILES for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine is CCc1cc(CC(NN)C2Cc3ccccc32)n(CC)n1.
What is the InChIKey of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine?
The InChIKey is PRJRIUVCTNOACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-13-10-14(21(4-2)20-13)11-17(19-18)16-9-12-7-5-6-8-15(12)16/h5-8,10,16-17,19H,3-4,9,11,18H2,1-2H3.
What are the key properties of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine?
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine has a molecular weight of 284.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1,3-diethylpyrazol-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105224823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).